| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 78.3 | Confident | 92.3 | Very high | 241 Ų | 241 | 121.2 Ų | 121.2 | 100% | 1.187 | 59% | 0.592 | S | S | * | * | 0 | 125.5 | 0 | -175.5 | 175.3 | -75.9 | 0 | 0 | 109.7 | |||||
| 2 | T | 92.3 | Very high | 92.5 | Very high | 144 Ų | 144 | 116.1 Ų | 116.1 | 88% | 0.883 | 56% | 0.564 | S | S | * | * | trans | -80.5 | 134 | -176.6 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | K | 93.6 | Very high | 92.6 | Very high | 139 Ų | 139 | 117.8 Ų | 117.8 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | trans | -105.6 | 99.8 | -179.1 | -171.9 | 177.1 | -174.7 | 175.7 | 0 | 111 | R5 R6 N8 | K3-R5 VanDerWaalsContact C-N 3.33Å; K3-R5 WeakPolarHBondContact CE-O 3.32Å; K3-R5 PolarHBondContact O-N 2.8Å; K3-R6 PolarHBondContact NZ-O 3.25Å; K3-N8 WeakPolarHBondContact CE-OD1 3.43Å | ||
| 4 | K | 93.6 | Very high | 92.7 | Very high | 137 Ų | 137 | 116.1 Ų | 116.1 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -61.8 | -33.2 | -177.7 | -169.8 | 175.5 | -174.7 | 169.5 | 0 | 114.6 | ||
| 5 | R | 93.9 | Very high | 92.8 | Very high | 114 Ų | 114 | 118.7 Ų | 118.7 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | trans | -139.4 | 131.6 | -177.2 | -63.7 | -174.6 | 173.7 | 101.2 | -4.4 | 111.4 | K3 N7 N8 | K3-R5 VanDerWaalsContact C-N 3.33Å; K3-R5 WeakPolarHBondContact CE-O 3.32Å; K3-R5 PolarHBondContact O-N 2.8Å; R5-N7 WeakPolarHBondContact CB-OD1 3.12Å; R5-N7 PolarHBondContact O-N 3.46Å; R5-N8 PolarHBondContact O-N 3.18Å; R5-N8 VanDerWaalsContact O-N 3.08Å | ||
| 6 | R | 93.8 | Very high | 92.8 | Very high | 231 Ų | 231 | 115.5 Ų | 115.5 | 87% | 0.872 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -35.2 | 176.1 | -173.2 | 177.7 | 178.8 | -171.6 | 0.2 | 112.9 | K3 | K3-R6 PolarHBondContact NZ-O 3.25Š|
| 7 | N | 92.7 | Very high | 92.8 | Very high | 49 Ų | 49 | 117.5 Ų | 117.5 | 26% | 0.262 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | 6 | -178.5 | 72.4 | -16.1 | 0 | 0 | 0 | 114.9 | R5 G9 R10 | R5-N7 WeakPolarHBondContact CB-OD1 3.12Å; R5-N7 PolarHBondContact O-N 3.46Å; N7-G9 PolarHBondContact O-N 3.45Å; N7-G9 PolarHBondContact OD1-N 3.36Å; N7-R10 PolarHBondContact O-N 2.59Å; N7-R10 VanDerWaalsContact O-N 3.14Å |
| 8 | N | 93.3 | Very high | 93 | Very high | 89 Ų | 89 | 112.6 Ų | 112.6 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 56.9 | 19.1 | -175.3 | -53.2 | -14.4 | 0 | 0 | 0 | 114 | K3 R5 | K3-N8 WeakPolarHBondContact CE-OD1 3.43Å; R5-N8 PolarHBondContact O-N 3.18Å; R5-N8 VanDerWaalsContact O-N 3.08Å |
| 9 | G | 94.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 114.2 Ų | 114.2 | 31% | 0.309 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 74.1 | 22.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | N7 | N7-G9 PolarHBondContact O-N 3.45Å; N7-G9 PolarHBondContact OD1-N 3.36Å |
| 10 | R | 94.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 112.4 Ų | 112.4 | 36% | 0.358 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -145.7 | 164.1 | -178.2 | 71.5 | -178.7 | -178.4 | -145 | 1.1 | 112.6 | N7 K12 D33 K34 | N7-R10 PolarHBondContact O-N 2.59Å; N7-R10 VanDerWaalsContact O-N 3.14Å; R10-K12 HydrophobicContact CG-CB 4.19Å; R10-D33 VanDerWaalsContact CB-OD2 3.26Å; R10-D33 WeakPolarHBondContact CB-OD2 3.48Å; R10-D33 WeakPolarHBondContact CD-OD2 2.79Å; R10-D33 WeakPolarHBondContact CG-OD2 3.35Å; R10-K34 HydrophobicContact CB-CB 4.3Å |
| 11 | A | 94.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 108.8 Ų | 108.8 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | trans | -97.5 | 14.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K13 D33 | A11-K13 PolarHBondContact O-N 3.33Å; A11-D33 HydrophobicContact CB-CB 4.16Å; A11-D33 PolarHBondContact N-O 2.86Å; A11-D33 VanDerWaalsContact N-O 3.17Å | ||
| 12 | K | 94.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 105.1 Ų | 105.1 | 26% | 0.261 | 54% | 0.538 | S | S | . | . | trans | -69.4 | 115.8 | 173.5 | -173.1 | 175.3 | 177.8 | -175.1 | 0 | 112.3 | R10 R15 G16 D33 | R10-K12 HydrophobicContact CG-CB 4.19Å; K12-R15 WeakPolarHBondContact CE-O 3.23Å; K12-R15 HydrophobicContact CG-CB 4.49Å; K12-G16 WeakPolarHBondContact CE-O 3.27Å; K12-G16 PolarHBondContact NZ-O 3.01Å; K12-D33 VanDerWaalsContact CB-OD2 3.24Å; K12-D33 WeakPolarHBondContact CB-OD2 3.13Å; K12-D33 PolarHBondContact N-OD2 3.48Å; K12-D33 VanDerWaalsContact N-OD2 3.1Å | ||
| 13 | K | 94.1 | Very high | 94.4 | Very high | 138 Ų | 138 | 98.5 Ų | 98.5 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | trans | -138.6 | 134.7 | 173.2 | -61.7 | -64.9 | 176.1 | -179.7 | 0 | 108.3 | A11 R15 | A11-K13 PolarHBondContact O-N 3.33Å; K13-R15 PolarHBondContact O-N 3.39Å; K13-R15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | G | 94 | Very high | 94.6 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 98% | 0.979 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 58.5 | 24.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 15 | R | 93.8 | Very high | 94.6 | Very high | 154 Ų | 154 | 93.9 Ų | 93.9 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | trans | -139.2 | 144.1 | -175.9 | -68.5 | -173 | -72.3 | -116.8 | -2.6 | 111.6 | K12 K13 | K12-R15 WeakPolarHBondContact CE-O 3.23Å; K12-R15 HydrophobicContact CG-CB 4.49Å; K13-R15 PolarHBondContact O-N 3.39Å; K13-R15 VanDerWaalsContact O-N 3.15Å | ||
| 16 | G | 93.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 91.5 Ų | 91.5 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -86.4 | -42.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K12 | K12-G16 WeakPolarHBondContact CE-O 3.27Å; K12-G16 PolarHBondContact NZ-O 3.01Å |
| 17 | H | 93.4 | Very high | 94.8 | Very high | 150 Ų | 150 | 83.4 Ų | 83.4 | 69% | 0.694 | 47% | 0.471 | S | S | * | . | trans | -135.4 | 154.4 | -179.9 | -177.6 | -100.3 | 0 | 0 | 0 | 111.1 | ||||
| 18 | V | 95.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 88.2 Ų | 88.2 | 17% | 0.17 | 49% | 0.486 | C | S | . | . | trans | -136.9 | 133.9 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | K32 | V18-K32 HydrophobicContact CG1-CB 3.83Š| ||
| 19 | Q | 95.1 | Very high | 95.1 | Very high | 143 Ų | 143 | 86.9 Ų | 86.9 | 67% | 0.668 | 48% | 0.483 | S | S | * | . | trans | -55.4 | 135.5 | 178.9 | -72 | 173.9 | -19.2 | 0 | 0 | 112 | K32 | Q19-K32 WeakPolarHBondContact O-CB 3Å; Q19-K32 PolarHBondContact O-N 3.46Å; Q19-K32 VanDerWaalsContact O-N 3.15Å | ||
| 20 | P | 96.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 86 Ų | 86 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 150.8 | 173.3 | 31.4 | -33.7 | 0 | 0 | 0 | 111.5 | ||
| 21 | I | 95.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 83.9 Ų | 83.9 | 19% | 0.19 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 152.1 | 171.9 | -64.6 | 178.1 | 0 | 0 | 0 | 107.9 | V30 K32 H72 | I21-V30 PolarHBondContact N-O 2.99Å; I21-V30 PolarHBondContact O-N 3.26Å; I21-V30 VanDerWaalsContact O-O 3.1Å; I21-K32 HydrophobicContact CD1-CB 3.59Å; I21-K32 HydrophobicContact CD1-CD 3.89Å; I21-K32 HydrophobicContact CD1-CG 3.48Å; I21-K32 VanDerWaalsContact CD1-CG 3.48Å; I21-K32 HydrophobicContact CG1-CB 3.99Å; I21-K32 HydrophobicContact CG1-CG 4.38Å; I21-H72 HydrophobicContact CG2-CB 3.91Å |
| 22 | R | 96.9 | Very high | 95.2 | Very high | 163 Ų | 163 | 85.7 Ų | 85.7 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.9 | 175.4 | -61.1 | -69.4 | 178.7 | 167.2 | 0.4 | 110.8 | A27 C29 | R22-A27 WeakPolarHBondContact CD-O 3.26Å; R22-A27 PolarHBondContact NH1-O 3.47Å; R22-C29 PolarHBondContact NE-SG 3.28Å; R22-C29 PolarHBondContact NH1-SG 3.28Å; R22-C29 PolarHBondContact NH2-SG 3.32Å; R22-C29 VanDerWaalsContact NH2-SG 3.36Å |
| 23 | C | 96.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 84 Ų | 84 | 4% | 0.041 | 46% | 0.46 | C | S | . | . | trans | -63.3 | 135.4 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | N25 A27 R28 H72 C74 | C23-N25 VanDerWaalsContact C-N 3.28Å; C23-N25 PolarHBondContact O-N 3.4Å; C23-A27 VanDerWaalsContact O-CA 3.23Å; C23-A27 WeakPolarHBondContact O-CA 3.39Å; C23-A27 PolarHBondContact O-N 3.31Å; C23-R28 HydrophobicContact CB-CB 4.39Å; C23-R28 PolarHBondContact N-O 3.42Å; C23-H72 CarbonylContact C-O 3.49Å; C23-H72 VanDerWaalsContact CA-O 3.27Å; C23-H72 WeakPolarHBondContact CA-O 3.34Å; C23-C74 HydrophobicContact CB-CB 4.15Å; C23-C74 PolarHBondContact SG-N 3.04Å | ||
| 24 | T | 95.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 82.1 Ų | 82.1 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.5 | -179.7 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | L71 H72 | T24-L71 HydrophobicContact CG2-CD2 3.99Å; T24-H72 PolarHBondContact N-O 3.39Å; T24-H72 PolarHBondContact OG1-N 3.36Å; T24-H72 VanDerWaalsContact OG1-N 3.1Å; T24-H72 PolarHBondContact OG1-O 3.06Å |
| 25 | N | 94.8 | Very high | 95.5 | Very high | 101 Ų | 101 | 78.1 Ų | 78.1 | 54% | 0.54 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -43 | -175.7 | -70.3 | 21.4 | 0 | 0 | 0 | 113.5 | C23 Y73 | C23-N25 VanDerWaalsContact C-N 3.28Å; C23-N25 PolarHBondContact O-N 3.4Å; N25-Y73 WeakPolarHBondContact OD1-CE1 3.29Å |
| 26 | C | 95.3 | Very high | 95.6 | Very high | 64 Ų | 64 | 72.6 Ų | 72.6 | 43% | 0.432 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 6.9 | -170.8 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | R28 C77 | C26-R28 PolarHBondContact O-N 2.97Å; C26-R28 VanDerWaalsContact SG-CB 3.59Å; C26-C77 PolarHBondContact SG-SG 2.94Å |
| 27 | A | 95.6 | Very high | 95.6 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 50% | 0.504 | 38% | 0.379 | S | S | . | . | trans | 53.9 | 9.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | R22 C23 C29 | R22-A27 WeakPolarHBondContact CD-O 3.26Å; R22-A27 PolarHBondContact NH1-O 3.47Å; C23-A27 VanDerWaalsContact O-CA 3.23Å; C23-A27 WeakPolarHBondContact O-CA 3.39Å; C23-A27 PolarHBondContact O-N 3.31Å; A27-C29 PolarHBondContact O-N 3.3Å | ||
| 28 | R | 95.8 | Very high | 95.6 | Very high | 150 Ų | 150 | 71.3 Ų | 71.3 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | trans | -62 | 136.1 | 179.6 | -173.2 | 178.5 | -176.7 | 178.1 | 6.7 | 111.2 | C23 C26 V30 | C23-R28 HydrophobicContact CB-CB 4.39Å; C23-R28 PolarHBondContact N-O 3.42Å; C26-R28 PolarHBondContact O-N 2.97Å; C26-R28 VanDerWaalsContact SG-CB 3.59Å; R28-V30 PolarHBondContact O-N 3.14Å | ||
| 29 | C | 96.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 75.2 Ų | 75.2 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 123.9 | 167.5 | -87.9 | 0 | 0 | 0 | 0 | 111.4 | R22 A27 | R22-C29 PolarHBondContact NE-SG 3.28Å; R22-C29 PolarHBondContact NH1-SG 3.28Å; R22-C29 PolarHBondContact NH2-SG 3.32Å; R22-C29 VanDerWaalsContact NH2-SG 3.36Å; A27-C29 PolarHBondContact O-N 3.3Å |
| 30 | V | 95.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136 | 173.6 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | I21 R28 K32 K34 A35 C74 | I21-V30 PolarHBondContact N-O 2.99Å; I21-V30 PolarHBondContact O-N 3.26Å; I21-V30 VanDerWaalsContact O-O 3.1Å; R28-V30 PolarHBondContact O-N 3.14Å; V30-K32 PolarHBondContact O-N 2.94Å; V30-K34 HydrophobicContact CG1-CB 4.14Å; V30-K34 HydrophobicContact CG1-CG 4.46Å; V30-A35 HydrophobicContact CG1-CB 4.13Å; V30-C74 HydrophobicContact CG2-CB 3.48Å; V30-C74 VanDerWaalsContact CG2-CB 3.48Å |
| 31 | P | 96.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 140.1 | 176.3 | 27.1 | -33.7 | 0 | 0 | 0 | 110.6 | D33 K34 A35 | P31-D33 WeakPolarHBondContact CB-OD1 3.24Å; P31-D33 PolarHBondContact O-N 3.04Å; P31-K34 HydrophobicContact CG-CB 3.79Å; P31-K34 HydrophobicContact CG-CD 4.38Å; P31-K34 PolarHBondContact O-N 3.08Å; P31-A35 PolarHBondContact O-N 3.17Å |
| 32 | K | 95.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 75.9 Ų | 75.9 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26.8 | -173.1 | 175.4 | 172.8 | -174.6 | 179.4 | 0 | 114.2 | V18 Q19 I21 V30 K37 | V18-K32 HydrophobicContact CG1-CB 3.83Å; Q19-K32 WeakPolarHBondContact O-CB 3Å; Q19-K32 PolarHBondContact O-N 3.46Å; Q19-K32 VanDerWaalsContact O-N 3.15Å; I21-K32 HydrophobicContact CD1-CB 3.59Å; I21-K32 HydrophobicContact CD1-CD 3.89Å; I21-K32 HydrophobicContact CD1-CG 3.48Å; I21-K32 VanDerWaalsContact CD1-CG 3.48Å; I21-K32 HydrophobicContact CG1-CB 3.99Å; I21-K32 HydrophobicContact CG1-CG 4.38Å; V30-K32 PolarHBondContact O-N 2.94Å; K32-K37 WeakPolarHBondContact O-CE 3.5Å; K32-K37 PolarHBondContact O-NZ 3.41Å |
| 33 | D | 95.1 | Very high | 95.1 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -8.1 | -179.5 | 67.8 | -49.1 | 0 | 0 | 0 | 114.1 | R10 A11 K12 P31 | R10-D33 VanDerWaalsContact CB-OD2 3.26Å; R10-D33 WeakPolarHBondContact CB-OD2 3.48Å; R10-D33 WeakPolarHBondContact CD-OD2 2.79Å; R10-D33 WeakPolarHBondContact CG-OD2 3.35Å; A11-D33 HydrophobicContact CB-CB 4.16Å; A11-D33 PolarHBondContact N-O 2.86Å; A11-D33 VanDerWaalsContact N-O 3.17Å; K12-D33 VanDerWaalsContact CB-OD2 3.24Å; K12-D33 WeakPolarHBondContact CB-OD2 3.13Å; K12-D33 PolarHBondContact N-OD2 3.48Å; K12-D33 VanDerWaalsContact N-OD2 3.1Å; P31-D33 WeakPolarHBondContact CB-OD1 3.24Å; P31-D33 PolarHBondContact O-N 3.04Å |
| 34 | K | 95.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 76.2 Ų | 76.2 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -22.4 | 173.3 | -168.3 | 174.3 | -177.7 | 179.9 | 0 | 112.8 | R10 V30 P31 | R10-K34 HydrophobicContact CB-CB 4.3Å; V30-K34 HydrophobicContact CG1-CB 4.14Å; V30-K34 HydrophobicContact CG1-CG 4.46Å; P31-K34 HydrophobicContact CG-CB 3.79Å; P31-K34 HydrophobicContact CG-CD 4.38Å; P31-K34 PolarHBondContact O-N 3.08Å |
| 35 | A | 96.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -61 | 137 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V30 P31 K37 | V30-A35 HydrophobicContact CG1-CB 4.13Å; P31-A35 PolarHBondContact O-N 3.17Å; A35-K37 PolarHBondContact O-N 3.15Å |
| 36 | I | 96 | Very high | 94.6 | Very high | 38 Ų | 38 | 75.6 Ų | 75.6 | 20% | 0.195 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 114.8 | 175 | -65.8 | 158.6 | 0 | 0 | 0 | 106.9 | Y73 A78 V83 V84 | I36-Y73 PolarHBondContact N-O 3.34Å; I36-Y73 PolarHBondContact O-N 3.15Å; I36-A78 HydrophobicContact CB-CB 4.32Å; I36-A78 HydrophobicContact CD1-CB 3.19Å; I36-A78 HydrophobicContact CG1-CB 4.33Å; I36-A78 HydrophobicContact CG2-CB 4.35Å; I36-V83 HydrophobicContact CG2-CG1 4.32Å; I36-V84 HydrophobicContact CD1-CG2 3.89Å; I36-V84 HydrophobicContact CG1-CG2 4.44Å; I36-V84 HydrophobicContact CG2-CG2 4.1Å |
| 37 | K | 94.3 | Very high | 94.3 | Very high | 102 Ų | 102 | 76.6 Ų | 76.6 | 44% | 0.443 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.8 | -174.3 | -58.1 | 175.3 | -171.6 | 160.1 | 0 | 108.9 | K32 A35 L71 | K32-K37 WeakPolarHBondContact O-CE 3.5Å; K32-K37 PolarHBondContact O-NZ 3.41Å; A35-K37 PolarHBondContact O-N 3.15Å; K37-L71 WeakPolarHBondContact CA-O 3.35Å |
| 38 | K | 93.9 | Very high | 94.2 | Very high | 88 Ų | 88 | 77 Ų | 77 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.7 | 175 | -172.4 | -179.7 | 179.7 | 179 | 0 | 108.3 | V40 L71 Y73 V83 | K38-V40 HydrophobicContact CD-CG2 4.06Å; K38-V40 HydrophobicContact CG-CG2 3.91Å; K38-L71 HydrophobicContact CB-CB 4.37Å; K38-L71 PolarHBondContact N-O 3.17Å; K38-L71 PolarHBondContact O-N 2.83Å; K38-Y73 HydrophobicContact CB-CE2 4.46Å; K38-V83 HydrophobicContact CD-CG1 4.48Å |
| 39 | F | 94.3 | Very high | 94 | Very high | 110 Ų | 110 | 71.4 Ų | 71.4 | 48% | 0.482 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.9 | 171.2 | -163.4 | -116.9 | 0 | 0 | 0 | 108.5 | I41 Y68 K70 | F39-I41 HydrophobicContact CD1-CD1 4.03Å; F39-I41 HydrophobicContact CD1-CG1 3.73Å; F39-I41 HydrophobicContact CE1-CD1 3.75Å; F39-I41 HydrophobicContact CE1-CG1 3.51Å; F39-I41 HydrophobicContact CZ-CG1 4.47Å; F39-Y68 AromaticContact CE1-CD1 3.91Å; F39-Y68 HydrophobicContact CE1-CD1 3.91Å; F39-Y68 AromaticContact CZ-CD1 3.73Å; F39-Y68 HydrophobicContact CZ-CD1 3.73Å; F39-Y68 HydrophobicContact CZ-CG 4.33Å; F39-K70 HydrophobicContact CD2-CB 4.06Å; F39-K70 HydrophobicContact CD2-CG 4.3Å; F39-K70 HydrophobicContact CE2-CB 4.42Å |
| 40 | V | 93.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 70.7 Ų | 70.7 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.6 | -178.3 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | K38 R42 V69 L71 | K38-V40 HydrophobicContact CD-CG2 4.06Å; K38-V40 HydrophobicContact CG-CG2 3.91Å; V40-R42 HydrophobicContact CG1-CG 3.61Å; V40-V69 PolarHBondContact N-O 3.42Å; V40-V69 PolarHBondContact O-N 3.05Å; V40-L71 HydrophobicContact CB-CD1 4.39Å; V40-L71 HydrophobicContact CG2-CD1 3.6Å; V40-L71 HydrophobicContact CG2-CG 4.41Å |
| 41 | I | 94.3 | Very high | 93.5 | Very high | 92 Ų | 92 | 79.5 Ų | 79.5 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.6 | 169.7 | -52.8 | 173.1 | 0 | 0 | 0 | 105.5 | F39 K66 L67 Y68 | F39-I41 HydrophobicContact CD1-CD1 4.03Å; F39-I41 HydrophobicContact CD1-CG1 3.73Å; F39-I41 HydrophobicContact CE1-CD1 3.75Å; F39-I41 HydrophobicContact CE1-CG1 3.51Å; F39-I41 HydrophobicContact CZ-CG1 4.47Å; I41-K66 HydrophobicContact CG2-CB 4.17Å; I41-K66 HydrophobicContact CG2-CD 3.96Å; I41-L67 WeakPolarHBondContact CA-O 3.42Å; I41-Y68 HydrophobicContact CD1-CD1 4.33Å; I41-Y68 HydrophobicContact CD1-CE1 4.1Å; I41-Y68 HydrophobicContact CG1-CD1 3.93Å; I41-Y68 HydrophobicContact CG1-CE1 4.09Å; I41-Y68 HydrophobicContact CG2-CD1 4.24Å; I41-Y68 HydrophobicContact CG2-CE1 3.91Å |
| 42 | R | 93.3 | Very high | 93.3 | Very high | 166 Ų | 166 | 82.4 Ų | 82.4 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148.7 | 177.6 | -74.4 | 172.8 | -179.1 | 178.8 | -0.6 | 108.6 | V40 K66 L67 | V40-R42 HydrophobicContact CG1-CG 3.61Å; R42-K66 CarbonylContact O-C 3.45Å; R42-K66 VanDerWaalsContact O-CA 3.29Å; R42-K66 WeakPolarHBondContact O-CA 3.29Å; R42-L67 PolarHBondContact N-O 2.89Å; R42-L67 VanDerWaalsContact N-O 3.08Å; R42-L67 PolarHBondContact O-N 2.95Å |
| 43 | N | 92.6 | Very high | 93.2 | Very high | 85 Ų | 85 | 81 Ų | 81 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 148.7 | 164.1 | -63.6 | -17.7 | 0 | 0 | 0 | 108.2 | V45 K66 | N43-V45 WeakPolarHBondContact CB-O 3.46Å; N43-V45 PolarHBondContact O-N 3.01Å; N43-K66 WeakPolarHBondContact OD1-CE 3.26Å |
| 44 | I | 93.1 | Very high | 93 | Very high | 91 Ų | 91 | 82.6 Ų | 82.6 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -62.4 | -38.1 | 174.4 | -69.5 | 168.1 | 0 | 0 | 0 | 110 | P65 L67 | I44-P65 HydrophobicContact CD1-CB 3.66Å; I44-P65 HydrophobicContact CD1-CG 3.68Å; I44-P65 WeakPolarHBondContact CG1-O 3.38Å; I44-P65 PolarHBondContact N-O 2.9Å; I44-L67 HydrophobicContact CB-CG 4.47Å; I44-L67 HydrophobicContact CD1-CD2 4.33Å; I44-L67 HydrophobicContact CG1-CD1 4.37Å; I44-L67 HydrophobicContact CG1-CD2 3.68Å; I44-L67 HydrophobicContact CG1-CG 3.59Å |
| 45 | V | 92.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 84.6 Ų | 84.6 | 13% | 0.127 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -93.8 | 139 | -179.8 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | N43 A49 V50 I53 L64 | N43-V45 WeakPolarHBondContact CB-O 3.46Å; N43-V45 PolarHBondContact O-N 3.01Å; V45-A49 HydrophobicContact CG1-CB 3.88Å; V45-V50 HydrophobicContact CB-CG2 4.49Å; V45-V50 HydrophobicContact CG1-CG2 4.05Å; V45-I53 HydrophobicContact CB-CD1 4.28Å; V45-I53 HydrophobicContact CG1-CD1 3.58Å; V45-I53 HydrophobicContact CG2-CD1 3.64Å; V45-L64 HydrophobicContact CB-CD1 4.21Å; V45-L64 HydrophobicContact CG2-CD1 4.12Å; V45-L64 HydrophobicContact CG2-CD2 3.89Å |
| 46 | E | 90.9 | Very high | 92.5 | Very high | 144 Ų | 144 | 88.1 Ų | 88.1 | 67% | 0.673 | 47% | 0.468 | S | S | * | . | trans | -71.7 | 148.1 | 172.3 | -160.9 | -138.3 | 150.1 | 0 | 0 | 111.2 | A48 A49 V50 | E46-A48 PolarHBondContact O-N 2.79Å; E46-A48 VanDerWaalsContact O-N 3.11Å; E46-A49 PolarHBondContact O-N 3.1Å; E46-V50 WeakPolarHBondContact O-CG2 3.21Å; E46-V50 PolarHBondContact O-N 3.03Å | ||
| 47 | A | 90.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 88.2 Ų | 88.2 | 70% | 0.702 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -57.2 | -32.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 48 | A | 92.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 90 Ų | 90 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -66.8 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E46 V50 | E46-A48 PolarHBondContact O-N 2.79Å; E46-A48 VanDerWaalsContact O-N 3.11Å; A48-V50 VanDerWaalsContact C-N 3.28Å; A48-V50 PolarHBondContact O-N 3.45Å |
| 49 | A | 92.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 92.3 Ų | 92.3 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -80.8 | -3.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | V45 E46 R51 I53 | V45-A49 HydrophobicContact CG1-CB 3.88Å; E46-A49 PolarHBondContact O-N 3.1Å; A49-R51 VanDerWaalsContact C-N 3.3Å; A49-R51 PolarHBondContact O-N 3.19Å; A49-I53 WeakPolarHBondContact O-CG1 3.4Å; A49-I53 PolarHBondContact O-N 3.33Å; A49-I53 VanDerWaalsContact O-N 3.17Å |
| 50 | V | 91.3 | Very high | 91.6 | Very high | 45 Ų | 45 | 95.6 Ų | 95.6 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | -179.6 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | V45 E46 A48 S54 L64 | V45-V50 HydrophobicContact CB-CG2 4.49Å; V45-V50 HydrophobicContact CG1-CG2 4.05Å; E46-V50 WeakPolarHBondContact O-CG2 3.21Å; E46-V50 PolarHBondContact O-N 3.03Å; A48-V50 VanDerWaalsContact C-N 3.28Å; A48-V50 PolarHBondContact O-N 3.45Å; V50-S54 WeakPolarHBondContact O-CB 2.94Å; V50-S54 PolarHBondContact O-N 3.12Å; V50-S54 PolarHBondContact O-OG 3.17Å; V50-S54 VanDerWaalsContact O-OG 3.12Å; V50-L64 HydrophobicContact CG1-CD1 4.19Å; V50-L64 HydrophobicContact CG2-CD1 4.3Å |
| 51 | R | 90.2 | Very high | 91.3 | Very high | 197 Ų | 197 | 100 Ų | 100 | 74% | 0.743 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.1 | -51 | -178.7 | -67.6 | -178 | 179 | 179.7 | -1.9 | 111.4 | A49 I53 S54 D55 | A49-R51 VanDerWaalsContact C-N 3.3Å; A49-R51 PolarHBondContact O-N 3.19Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.03Å; R51-S54 PolarHBondContact O-N 3.45Å; R51-S54 VanDerWaalsContact O-N 3.08Å; R51-D55 PolarHBondContact O-N 2.86Å |
| 52 | D | 93.1 | Very high | 91 | Very high | 112 Ų | 112 | 101.7 Ų | 101.7 | 60% | 0.599 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.9 | -38 | -179.7 | -51.3 | -34.1 | 0 | 0 | 0 | 112 | A56 | D52-A56 VanDerWaalsContact O-CB 3.23Å; D52-A56 WeakPolarHBondContact O-CB 3.38Å; D52-A56 PolarHBondContact O-N 2.87Å |
| 53 | I | 91.8 | Very high | 90.8 | Very high | 71 Ų | 71 | 99.9 Ų | 99.9 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.9 | -37.2 | 177.3 | -68.2 | -176.3 | 0 | 0 | 0 | 111.8 | V45 A49 R51 S57 L64 | V45-I53 HydrophobicContact CB-CD1 4.28Å; V45-I53 HydrophobicContact CG1-CD1 3.58Å; V45-I53 HydrophobicContact CG2-CD1 3.64Å; A49-I53 WeakPolarHBondContact O-CG1 3.4Å; A49-I53 PolarHBondContact O-N 3.33Å; A49-I53 VanDerWaalsContact O-N 3.17Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.03Å; I53-S57 VanDerWaalsContact O-CB 3.26Å; I53-S57 WeakPolarHBondContact O-CB 3.46Å; I53-S57 PolarHBondContact O-N 3.48Å; I53-L64 HydrophobicContact CG2-CD2 4.21Å |
| 54 | S | 90.4 | Very high | 90.7 | Very high | 60 Ų | 60 | 97.8 Ų | 97.8 | 42% | 0.42 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -44.9 | 175 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | V50 R51 A56 S57 | V50-S54 WeakPolarHBondContact O-CB 2.94Å; V50-S54 PolarHBondContact O-N 3.12Å; V50-S54 PolarHBondContact O-OG 3.17Å; V50-S54 VanDerWaalsContact O-OG 3.12Å; R51-S54 PolarHBondContact O-N 3.45Å; R51-S54 VanDerWaalsContact O-N 3.08Å; S54-A56 VanDerWaalsContact C-N 3.33Å; S54-A56 PolarHBondContact O-N 2.97Å; S54-S57 PolarHBondContact O-N 3.35Å; S54-S57 PolarHBondContact O-OG 3.41Å |
| 55 | D | 90.5 | Very high | 90.7 | Very high | 139 Ų | 139 | 96.4 Ų | 96.4 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.7 | -34 | 179.5 | -64.1 | -14.8 | 0 | 0 | 0 | 112 | R51 S57 | R51-D55 PolarHBondContact O-N 2.86Å; D55-S57 VanDerWaalsContact C-N 3.34Å |
| 56 | A | 92.1 | Very high | 90.8 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 71% | 0.711 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -4.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | D52 S54 | D52-A56 VanDerWaalsContact O-CB 3.23Å; D52-A56 WeakPolarHBondContact O-CB 3.38Å; D52-A56 PolarHBondContact O-N 2.87Å; S54-A56 VanDerWaalsContact C-N 3.33Å; S54-A56 PolarHBondContact O-N 2.97Å |
| 57 | S | 90.8 | Very high | 91 | Very high | 41 Ų | 41 | 97.8 Ų | 97.8 | 29% | 0.287 | 56% | 0.555 | S | S | . | * | trans | -83.7 | 142.4 | -177.7 | 71.1 | 0 | 0 | 0 | 0 | 112 | I53 S54 D55 F59 | I53-S57 VanDerWaalsContact O-CB 3.26Å; I53-S57 WeakPolarHBondContact O-CB 3.46Å; I53-S57 PolarHBondContact O-N 3.48Å; S54-S57 PolarHBondContact O-N 3.35Å; S54-S57 PolarHBondContact O-OG 3.41Å; D55-S57 VanDerWaalsContact C-N 3.34Å; S57-F59 PolarHBondContact O-N 3.25Å; S57-F59 PolarHBondContact OG-O 3.1Å; S57-F59 VanDerWaalsContact OG-O 3.07Å | ||
| 58 | V | 93.9 | Very high | 91.3 | Very high | 139 Ų | 139 | 100.8 Ų | 100.8 | 84% | 0.842 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -71.2 | -18.2 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 112 | ||
| 59 | F | 92.2 | Very high | 91.5 | Very high | 136 Ų | 136 | 100.6 Ų | 100.6 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -105 | 125.9 | -178.2 | -57.3 | -70.6 | 0 | 0 | 0 | 110.8 | S57 S61 Y62 | S57-F59 PolarHBondContact O-N 3.25Å; S57-F59 PolarHBondContact OG-O 3.1Å; S57-F59 VanDerWaalsContact OG-O 3.07Å; F59-S61 PolarHBondContact O-N 3.22Å; F59-S61 VanDerWaalsContact O-N 3.08Å; F59-Y62 HydrophobicContact CD2-CD2 4.19Å |
| 60 | D | 83 | Confident | 91.6 | Very high | 180 Ų | 180 | 105.1 Ų | 105.1 | 96% | 0.963 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -29 | 179.5 | -73.3 | -19.1 | 0 | 0 | 0 | 114.5 | ||
| 61 | S | 86.3 | Confident | 91.8 | Very high | 108 Ų | 108 | 104.4 Ų | 104.4 | 76% | 0.755 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.7 | 75.8 | 179.2 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | F59 | F59-S61 PolarHBondContact O-N 3.22Å; F59-S61 VanDerWaalsContact O-N 3.08Å |
| 62 | Y | 89.5 | Confident | 92.1 | Very high | 128 Ų | 128 | 96.6 Ų | 96.6 | 50% | 0.502 | 52% | 0.52 | S | S | . | . | trans | -86 | 125.2 | 174 | -172.8 | -108.7 | 0 | 0 | 0 | 112.9 | F59 L64 | F59-Y62 HydrophobicContact CD2-CD2 4.19Å; Y62-L64 HydrophobicContact CD1-CD2 4Å; Y62-L64 HydrophobicContact CD1-CG 4.43Å; Y62-L64 HydrophobicContact CE1-CD2 4.15Å; Y62-L64 PolarHBondContact O-N 2.82Å | ||
| 63 | V | 88.8 | Confident | 92.3 | Very high | 128 Ų | 128 | 92.4 Ų | 92.4 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | trans | -80.8 | 107.2 | 173.6 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 64 | L | 89.8 | Confident | 92.5 | Very high | 40 Ų | 40 | 89.2 Ų | 89.2 | 21% | 0.209 | 48% | 0.48 | C | S | . | . | trans | -64 | 130.8 | 178.5 | -69.5 | 166.3 | 0 | 0 | 0 | 112.1 | V45 V50 I53 Y62 | V45-L64 HydrophobicContact CB-CD1 4.21Å; V45-L64 HydrophobicContact CG2-CD1 4.12Å; V45-L64 HydrophobicContact CG2-CD2 3.89Å; V50-L64 HydrophobicContact CG1-CD1 4.19Å; V50-L64 HydrophobicContact CG2-CD1 4.3Å; I53-L64 HydrophobicContact CG2-CD2 4.21Å; Y62-L64 HydrophobicContact CD1-CD2 4Å; Y62-L64 HydrophobicContact CD1-CG 4.43Å; Y62-L64 HydrophobicContact CE1-CD2 4.15Å; Y62-L64 PolarHBondContact O-N 2.82Å | ||
| 65 | P | 93.1 | Very high | 92.8 | Very high | 62 Ų | 62 | 89.4 Ų | 89.4 | 40% | 0.403 | 48% | 0.479 | S | S | . | . | trans | -69.7 | 163.6 | 178.9 | 7.4 | -2.8 | 0 | 0 | 0 | 113.5 | I44 | I44-P65 HydrophobicContact CD1-CB 3.66Å; I44-P65 HydrophobicContact CD1-CG 3.68Å; I44-P65 WeakPolarHBondContact CG1-O 3.38Å; I44-P65 PolarHBondContact N-O 2.9Å | ||
| 66 | K | 95.2 | Very high | 93.1 | Very high | 109 Ų | 109 | 86.2 Ų | 86.2 | 47% | 0.474 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.6 | -179.1 | -65.5 | 178 | -176.7 | 171.2 | 0 | 111.7 | I41 R42 N43 Y68 | I41-K66 HydrophobicContact CG2-CB 4.17Å; I41-K66 HydrophobicContact CG2-CD 3.96Å; R42-K66 CarbonylContact O-C 3.45Å; R42-K66 VanDerWaalsContact O-CA 3.29Å; R42-K66 WeakPolarHBondContact O-CA 3.29Å; N43-K66 WeakPolarHBondContact OD1-CE 3.26Å; K66-Y68 HydrophobicContact CB-CE2 3.87Å; K66-Y68 VanDerWaalsContact O-CD2 3.28Å; K66-Y68 WeakPolarHBondContact O-CD2 3.48Å; K66-Y68 WeakPolarHBondContact O-CE2 3.46Å |
| 67 | L | 95.5 | Very high | 93.3 | Very high | 85 Ų | 85 | 83.1 Ų | 83.1 | 45% | 0.445 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.1 | 168.5 | -63.6 | 177.5 | 0 | 0 | 0 | 110.5 | I41 R42 I44 | I41-L67 WeakPolarHBondContact CA-O 3.42Å; R42-L67 PolarHBondContact N-O 2.89Å; R42-L67 VanDerWaalsContact N-O 3.08Å; R42-L67 PolarHBondContact O-N 2.95Å; I44-L67 HydrophobicContact CB-CG 4.47Å; I44-L67 HydrophobicContact CD1-CD2 4.33Å; I44-L67 HydrophobicContact CG1-CD1 4.37Å; I44-L67 HydrophobicContact CG1-CD2 3.68Å; I44-L67 HydrophobicContact CG1-CG 3.59Å |
| 68 | Y | 95.8 | Very high | 93.6 | Very high | 149 Ų | 149 | 81.1 Ų | 81.1 | 58% | 0.584 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 103.3 | 176.7 | -64.6 | -89 | 0 | 0 | 0 | 109.5 | F39 I41 K66 | F39-Y68 AromaticContact CE1-CD1 3.91Å; F39-Y68 HydrophobicContact CE1-CD1 3.91Å; F39-Y68 AromaticContact CZ-CD1 3.73Å; F39-Y68 HydrophobicContact CZ-CD1 3.73Å; F39-Y68 HydrophobicContact CZ-CG 4.33Å; I41-Y68 HydrophobicContact CD1-CD1 4.33Å; I41-Y68 HydrophobicContact CD1-CE1 4.1Å; I41-Y68 HydrophobicContact CG1-CD1 3.93Å; I41-Y68 HydrophobicContact CG1-CE1 4.09Å; I41-Y68 HydrophobicContact CG2-CD1 4.24Å; I41-Y68 HydrophobicContact CG2-CE1 3.91Å; K66-Y68 HydrophobicContact CB-CE2 3.87Å; K66-Y68 VanDerWaalsContact O-CD2 3.28Å; K66-Y68 WeakPolarHBondContact O-CD2 3.48Å; K66-Y68 WeakPolarHBondContact O-CE2 3.46Å |
| 69 | V | 95.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 78.4 Ų | 78.4 | 39% | 0.394 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.3 | -176.4 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | V40 L71 | V40-V69 PolarHBondContact N-O 3.42Å; V40-V69 PolarHBondContact O-N 3.05Å; V69-L71 HydrophobicContact CG1-CD2 3.55Å; V69-L71 HydrophobicContact CG1-CG 3.99Å |
| 70 | K | 94.8 | Very high | 93.9 | Very high | 128 Ų | 128 | 79.9 Ų | 79.9 | 56% | 0.557 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 99.4 | 172.9 | -162.4 | 176 | -163.6 | 161.4 | 0 | 109.9 | F39 | F39-K70 HydrophobicContact CD2-CB 4.06Å; F39-K70 HydrophobicContact CD2-CG 4.3Å; F39-K70 HydrophobicContact CE2-CB 4.42Å |
| 71 | L | 95.6 | Very high | 94.5 | Very high | 30 Ų | 30 | 73.7 Ų | 73.7 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.2 | 179.8 | -58.1 | 170.6 | 0 | 0 | 0 | 109.8 | T24 K37 K38 V40 V69 Y73 | T24-L71 HydrophobicContact CG2-CD2 3.99Å; K37-L71 WeakPolarHBondContact CA-O 3.35Å; K38-L71 HydrophobicContact CB-CB 4.37Å; K38-L71 PolarHBondContact N-O 3.17Å; K38-L71 PolarHBondContact O-N 2.83Å; V40-L71 HydrophobicContact CB-CD1 4.39Å; V40-L71 HydrophobicContact CG2-CD1 3.6Å; V40-L71 HydrophobicContact CG2-CG 4.41Å; V69-L71 HydrophobicContact CG1-CD2 3.55Å; V69-L71 HydrophobicContact CG1-CG 3.99Å; L71-Y73 HydrophobicContact CB-CD2 4.4Å; L71-Y73 HydrophobicContact CB-CE2 3.69Å; L71-Y73 HydrophobicContact CD1-CE2 4.32Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.37Å |
| 72 | H | 96.9 | Very high | 94.8 | Very high | 32 Ų | 32 | 76.2 Ų | 76.2 | 15% | 0.148 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 111.3 | 179 | -70.9 | -65.7 | 0 | 0 | 0 | 109.1 | I21 C23 T24 | I21-H72 HydrophobicContact CG2-CB 3.91Å; C23-H72 CarbonylContact C-O 3.49Å; C23-H72 VanDerWaalsContact CA-O 3.27Å; C23-H72 WeakPolarHBondContact CA-O 3.34Å; T24-H72 PolarHBondContact N-O 3.39Å; T24-H72 PolarHBondContact OG1-N 3.36Å; T24-H72 VanDerWaalsContact OG1-N 3.1Å; T24-H72 PolarHBondContact OG1-O 3.06Å |
| 73 | Y | 97.3 | Very high | 95 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.9 | -179.8 | -62.8 | -72.7 | 0 | 0 | 0 | 112.4 | N25 I36 K38 L71 C77 | N25-Y73 WeakPolarHBondContact OD1-CE1 3.29Å; I36-Y73 PolarHBondContact N-O 3.34Å; I36-Y73 PolarHBondContact O-N 3.15Å; K38-Y73 HydrophobicContact CB-CE2 4.46Å; L71-Y73 HydrophobicContact CB-CD2 4.4Å; L71-Y73 HydrophobicContact CB-CE2 3.69Å; L71-Y73 HydrophobicContact CD1-CE2 4.32Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.37Å; Y73-C77 HydrophobicContact CD1-CB 4.18Å |
| 74 | C | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.027 | 36% | 0.355 | C | S | . | . | trans | -74.1 | 161.3 | 158 | 77.6 | 0 | 0 | 0 | 0 | 110.2 | C23 V30 S76 C77 A78 | C23-C74 HydrophobicContact CB-CB 4.15Å; C23-C74 PolarHBondContact SG-N 3.04Å; V30-C74 HydrophobicContact CG2-CB 3.48Å; V30-C74 VanDerWaalsContact CG2-CB 3.48Å; C74-S76 VanDerWaalsContact C-N 3.27Å; C74-S76 PolarHBondContact O-N 3.16Å; C74-C77 PolarHBondContact O-N 3.32Å; C74-C77 PolarHBondContact SG-N 3.32Å; C74-C77 VanDerWaalsContact SG-N 3.39Å; C74-C77 PolarHBondContact SG-SG 2.88Å; C74-A78 PolarHBondContact O-N 2.79Å | ||
| 75 | V | 95.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 76.8 Ų | 76.8 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | -177.2 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | A78 I79 | V75-A78 PolarHBondContact O-N 2.95Å; V75-I79 HydrophobicContact CG1-CD1 3.88Å; V75-I79 WeakPolarHBondContact O-CG1 3.28Å; V75-I79 PolarHBondContact O-N 3.09Å; V75-I79 VanDerWaalsContact O-N 3.17Å |
| 76 | S | 96.2 | Very high | 95.5 | Very high | 73 Ų | 73 | 80.7 Ų | 80.7 | 51% | 0.51 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -50.9 | 179.3 | -51 | 0 | 0 | 0 | 0 | 112 | C74 A78 I79 H80 | C74-S76 VanDerWaalsContact C-N 3.27Å; C74-S76 PolarHBondContact O-N 3.16Å; S76-A78 VanDerWaalsContact C-N 3.32Å; S76-A78 PolarHBondContact O-N 2.93Å; S76-I79 PolarHBondContact O-N 3.46Å; S76-H80 PolarHBondContact O-N 3.48Å |
| 77 | C | 96.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 80.9 Ų | 80.9 | 14% | 0.135 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 179.1 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | C26 Y73 C74 I79 H80 S81 | C26-C77 PolarHBondContact SG-SG 2.94Å; Y73-C77 HydrophobicContact CD1-CB 4.18Å; C74-C77 PolarHBondContact O-N 3.32Å; C74-C77 PolarHBondContact SG-N 3.32Å; C74-C77 VanDerWaalsContact SG-N 3.39Å; C74-C77 PolarHBondContact SG-SG 2.88Å; C77-I79 VanDerWaalsContact C-N 3.31Å; C77-I79 PolarHBondContact O-N 2.84Å; C77-H80 PolarHBondContact O-N 3.18Å; C77-S81 WeakPolarHBondContact O-CB 3.39Å; C77-S81 PolarHBondContact O-N 2.71Å; C77-S81 PolarHBondContact O-OG 3.17Å |
| 78 | A | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.9 | -30 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I36 C74 V75 S76 K82 V83 V84 | I36-A78 HydrophobicContact CB-CB 4.32Å; I36-A78 HydrophobicContact CD1-CB 3.19Å; I36-A78 HydrophobicContact CG1-CB 4.33Å; I36-A78 HydrophobicContact CG2-CB 4.35Å; C74-A78 PolarHBondContact O-N 2.79Å; V75-A78 PolarHBondContact O-N 2.95Å; S76-A78 VanDerWaalsContact C-N 3.32Å; S76-A78 PolarHBondContact O-N 2.93Å; A78-K82 PolarHBondContact O-N 3.38Å; A78-V83 HydrophobicContact CB-CB 4.43Å; A78-V83 PolarHBondContact O-N 2.96Å; A78-V84 HydrophobicContact CB-CG2 4.41Å; A78-V84 PolarHBondContact O-N 3.29Å; A78-V84 VanDerWaalsContact O-N 3.12Å |
| 79 | I | 96.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 77.9 Ų | 77.9 | 42% | 0.415 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.4 | -46.2 | 173.5 | -67 | 167.8 | 0 | 0 | 0 | 109.6 | V75 S76 C77 S81 K82 | V75-I79 HydrophobicContact CG1-CD1 3.88Å; V75-I79 WeakPolarHBondContact O-CG1 3.28Å; V75-I79 PolarHBondContact O-N 3.09Å; V75-I79 VanDerWaalsContact O-N 3.17Å; S76-I79 PolarHBondContact O-N 3.46Å; C77-I79 VanDerWaalsContact C-N 3.31Å; C77-I79 PolarHBondContact O-N 2.84Å; I79-S81 PolarHBondContact O-N 3.42Å; I79-K82 PolarHBondContact O-N 3.35Å |
| 80 | H | 96.2 | Very high | 95.2 | Very high | 167 Ų | 167 | 82.1 Ų | 82.1 | 77% | 0.773 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 179.3 | -177 | 73.1 | 0 | 0 | 0 | 112.2 | S76 C77 K82 | S76-H80 PolarHBondContact O-N 3.48Å; C77-H80 PolarHBondContact O-N 3.18Å; H80-K82 PolarHBondContact O-N 3.08Å |
| 81 | S | 94.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 77.4 Ų | 77.4 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 9.7 | 176.7 | 75.2 | 0 | 0 | 0 | 0 | 113.6 | C77 I79 V83 | C77-S81 WeakPolarHBondContact O-CB 3.39Å; C77-S81 PolarHBondContact O-N 2.71Å; C77-S81 PolarHBondContact O-OG 3.17Å; I79-S81 PolarHBondContact O-N 3.42Å; S81-V83 PolarHBondContact O-N 3.06Å; S81-V83 VanDerWaalsContact OG-CG2 3.26Å; S81-V83 WeakPolarHBondContact OG-CG2 3.48Å |
| 82 | K | 94.3 | Very high | 95.1 | Very high | 162 Ų | 162 | 79.1 Ų | 79.1 | 70% | 0.704 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 23.6 | 178.2 | -54.8 | 175.4 | -176 | 174.9 | 0 | 114.7 | A78 I79 H80 | A78-K82 PolarHBondContact O-N 3.38Å; I79-K82 PolarHBondContact O-N 3.35Å; H80-K82 PolarHBondContact O-N 3.08Å |
| 83 | V | 93.3 | Very high | 94.9 | Very high | 51 Ų | 51 | 85.8 Ų | 85.8 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -73 | -35.7 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I36 K38 A78 S81 | I36-V83 HydrophobicContact CG2-CG1 4.32Å; K38-V83 HydrophobicContact CD-CG1 4.48Å; A78-V83 HydrophobicContact CB-CB 4.43Å; A78-V83 PolarHBondContact O-N 2.96Å; S81-V83 PolarHBondContact O-N 3.06Å; S81-V83 VanDerWaalsContact OG-CG2 3.26Å; S81-V83 WeakPolarHBondContact OG-CG2 3.48Å |
| 84 | V | 94.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 88.9 Ų | 88.9 | 38% | 0.382 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -124.5 | 145.2 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 109 | I36 A78 | I36-V84 HydrophobicContact CD1-CG2 3.89Å; I36-V84 HydrophobicContact CG1-CG2 4.44Å; I36-V84 HydrophobicContact CG2-CG2 4.1Å; A78-V84 HydrophobicContact CB-CG2 4.41Å; A78-V84 PolarHBondContact O-N 3.29Å; A78-V84 VanDerWaalsContact O-N 3.12Å |
| 85 | R | 93.9 | Very high | 94.5 | Very high | 194 Ų | 194 | 98.8 Ų | 98.8 | 73% | 0.732 | 49% | 0.49 | S | S | * | . | trans | -120.2 | 160 | 179 | -61.2 | -175.1 | -176.6 | 177.9 | -0 | 111.7 | ||||
| 86 | N | 94 | Very high | 94.2 | Very high | 144 Ų | 144 | 101.1 Ų | 101.1 | 77% | 0.77 | 51% | 0.505 | S | S | * | . | trans | -68 | 142.2 | 172.4 | -70.5 | 11.5 | 0 | 0 | 0 | 109.8 | ||||
| 87 | R | 94.5 | Very high | 93.8 | Very high | 113 Ų | 113 | 102.8 Ų | 102.8 | 43% | 0.426 | 51% | 0.514 | S | S | . | . | trans | -126.7 | 151.2 | 179.6 | -63.1 | -172.4 | -68.8 | 173.5 | 4 | 110.4 | A91 R92 D94 | R87-A91 HydrophobicContact CB-CB 4.32Å; R87-A91 VanDerWaalsContact CZ-O 3.31Å; R87-A91 PolarHBondContact NH1-O 2.92Å; R87-A91 VanDerWaalsContact NH1-O 3.16Å; R87-R92 HydrophobicContact CB-CG 4.14Å; R87-R92 PolarHBondContact NH2-O 3.27Å; R87-R92 PolarHBondContact O-NE 3.2Å; R87-R92 PolarHBondContact O-NH2 3.46Å; R87-D94 PolarHBondContact NH1-O 3.11Å; R87-D94 PolarHBondContact NH2-O 2.95Å | ||
| 88 | S | 95.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 107.3 Ų | 107.3 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | trans | -57.2 | 166 | 173.2 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | E90 A91 R92 | S88-E90 VanDerWaalsContact C-N 3.28Å; S88-E90 PolarHBondContact O-N 2.96Å; S88-A91 VanDerWaalsContact OG-CB 3.29Å; S88-A91 WeakPolarHBondContact OG-CB 3.39Å; S88-A91 PolarHBondContact OG-N 2.72Å; S88-R92 WeakPolarHBondContact O-CD 3.26Å; S88-R92 WeakPolarHBondContact O-CG 3.23Å; S88-R92 PolarHBondContact O-N 2.8Å; S88-R92 PolarHBondContact O-NE 3.05Å | ||
| 89 | C | 93.2 | Very high | 92.6 | Very high | 96 Ų | 96 | 113 Ų | 113 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -39.9 | -177.6 | -77.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 90 | E | 93.1 | Very high | 91.7 | Very high | 154 Ų | 154 | 119.9 Ų | 119.9 | 72% | 0.72 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -51.2 | -179.7 | -64.3 | 174.5 | 177.2 | 0 | 0 | 111.6 | S88 R92 K93 | S88-E90 VanDerWaalsContact C-N 3.28Å; S88-E90 PolarHBondContact O-N 2.96Å; E90-R92 PolarHBondContact O-N 3.08Å; E90-K93 WeakPolarHBondContact O-CB 3.43Å; E90-K93 PolarHBondContact O-N 3.06Å |
| 91 | A | 93.6 | Very high | 90.1 | Very high | 29 Ų | 29 | 120.4 Ų | 120.4 | 24% | 0.24 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -9.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | R87 S88 K93 | R87-A91 HydrophobicContact CB-CB 4.32Å; R87-A91 VanDerWaalsContact CZ-O 3.31Å; R87-A91 PolarHBondContact NH1-O 2.92Å; R87-A91 VanDerWaalsContact NH1-O 3.16Å; S88-A91 VanDerWaalsContact OG-CB 3.29Å; S88-A91 WeakPolarHBondContact OG-CB 3.39Å; S88-A91 PolarHBondContact OG-N 2.72Å; A91-K93 VanDerWaalsContact C-N 3.29Å |
| 92 | R | 93.6 | Very high | 88.6 | Confident | 67 Ų | 67 | 128.2 Ų | 128.2 | 25% | 0.253 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | -29.6 | 170 | -77.6 | 163.8 | -164.5 | 170.9 | 8 | 112.3 | R87 S88 E90 D94 | R87-R92 HydrophobicContact CB-CG 4.14Å; R87-R92 PolarHBondContact NH2-O 3.27Å; R87-R92 PolarHBondContact O-NE 3.2Å; R87-R92 PolarHBondContact O-NH2 3.46Å; S88-R92 WeakPolarHBondContact O-CD 3.26Å; S88-R92 WeakPolarHBondContact O-CG 3.23Å; S88-R92 PolarHBondContact O-N 2.8Å; S88-R92 PolarHBondContact O-NE 3.05Å; E90-R92 PolarHBondContact O-N 3.08Å; R92-D94 VanDerWaalsContact C-N 3.29Å |
| 93 | K | 93.4 | Very high | 86.7 | Confident | 172 Ų | 172 | 125.8 Ų | 125.8 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -69.1 | -32 | -179.4 | -66.6 | 179 | -177.6 | 172.5 | 0 | 110.9 | E90 A91 R95 | E90-K93 WeakPolarHBondContact O-CB 3.43Å; E90-K93 PolarHBondContact O-N 3.06Å; A91-K93 VanDerWaalsContact C-N 3.29Å; K93-R95 WeakPolarHBondContact O-CG 3.4Å; K93-R95 PolarHBondContact O-N 3.12Å |
| 94 | D | 93.1 | Very high | 84.5 | Confident | 89 Ų | 89 | 129 Ų | 129 | 48% | 0.476 | 64% | 0.643 | S | S | . | * | trans | -63.7 | 123.5 | 177.3 | -55.1 | -28.9 | 0 | 0 | 0 | 111 | R87 R92 | R87-D94 PolarHBondContact NH1-O 3.11Å; R87-D94 PolarHBondContact NH2-O 2.95Å; R92-D94 VanDerWaalsContact C-N 3.29Å | ||
| 95 | R | 90.9 | Very high | 82.4 | Confident | 211 Ų | 211 | 130.4 Ų | 130.4 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | trans | -110.6 | 1 | 179.2 | -61.4 | -171.9 | -176.4 | 176.2 | 5.9 | 113 | K93 | K93-R95 WeakPolarHBondContact O-CG 3.4Å; K93-R95 PolarHBondContact O-N 3.12Å | ||
| 96 | T | 91.2 | Very high | 80.3 | Confident | 113 Ų | 113 | 124 Ų | 124 | 69% | 0.693 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.7 | 173.6 | 45.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 97 | P | 88 | Confident | 78.5 | Confident | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 147 | 172 | 28.3 | -32.7 | 0 | 0 | 0 | 108.8 | ||
| 98 | P | 84.1 | Confident | 76.6 | Confident | 114 Ų | 114 | 121.8 Ų | 121.8 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.6 | 174.6 | 24.7 | -32.4 | 0 | 0 | 0 | 109.5 | R100 | P98-R100 PolarHBondContact O-N 3.46Š|
| 99 | P | 82.7 | Confident | 74.8 | Confident | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 129.9 | 177.2 | 25.2 | -32.5 | 0 | 0 | 0 | 108.7 | F101 | P99-F101 PolarHBondContact O-N 3.29Å; P99-F101 VanDerWaalsContact O-N 3.09Å |
| 100 | R | 77.9 | Confident | 73.3 | Confident | 226 Ų | 226 | 129.3 Ų | 129.3 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | trans | -73.2 | 103.5 | 165.8 | -69.6 | -176 | -176.5 | 176 | 1.8 | 105.5 | P98 R102 | P98-R100 PolarHBondContact O-N 3.46Å; R100-R102 PolarHBondContact O-N 2.95Å | ||
| 101 | F | 63.3 | Low | 72.3 | Confident | 179 Ų | 179 | 127.4 Ų | 127.4 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | -62.3 | 94.9 | 169.9 | -153.9 | -96 | 0 | 0 | 0 | 106.5 | P99 | P99-F101 PolarHBondContact O-N 3.29Å; P99-F101 VanDerWaalsContact O-N 3.09Å | ||
| 102 | R | 62.5 | Low | 71.1 | Confident | 214 Ų | 214 | 131.9 Ų | 131.9 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | trans | -68.9 | 125.5 | 158 | -69 | -179.6 | 179.3 | 173.1 | -1 | 103.3 | R100 T104 | R100-R102 PolarHBondContact O-N 2.95Å; R102-T104 PolarHBondContact O-N 2.76Å | ||
| 103 | P | 55.3 | Low | 69.8 | Low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | -49.8 | 120.7 | 160.1 | 5.8 | -3.3 | 0 | 0 | 0 | 104.6 | A105 | P103-A105 VanDerWaalsContact C-N 3.28Å; P103-A105 PolarHBondContact O-N 3.35Å | ||
| 104 | T | 46.9 | Very low | 68.5 | Low | 119 Ų | 119 | 135.8 Ų | 135.8 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | -51.5 | 98.4 | -175.9 | -22.8 | 0 | 0 | 0 | 0 | 106.4 | R102 G106 | R102-T104 PolarHBondContact O-N 2.76Å; T104-G106 PolarHBondContact O-N 3.08Å | ||
| 105 | A | 50.7 | Low | 67.1 | Low | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -57.2 | 109.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 101.6 | P103 A107 | P103-A105 VanDerWaalsContact C-N 3.28Å; P103-A105 PolarHBondContact O-N 3.35Å; A105-A107 PolarHBondContact O-N 3.07Å | ||
| 106 | G | 48 | Very low | 65.9 | Low | 58 Ų | 58 | 140.9 Ų | 140.9 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | trans | -44.1 | 146.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | T104 | T104-G106 PolarHBondContact O-N 3.08Š| ||
| 107 | A | 56.5 | Low | 64.6 | Low | 83 Ų | 83 | 142.3 Ų | 142.3 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -36.5 | 139.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A105 R109 | A105-A107 PolarHBondContact O-N 3.07Å; A107-R109 PolarHBondContact O-N 2.8Å |
| 108 | P | 55.1 | Low | 63.3 | Low | 128 Ų | 128 | 144.2 Ų | 144.2 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -49.1 | 110.7 | -178.6 | 19.7 | -30.8 | 0 | 0 | 0 | 107.8 | A110 | P108-A110 PolarHBondContact O-N 3.06Š| ||
| 109 | R | 57.3 | Low | 62.1 | Low | 245 Ų | 245 | 145.9 Ų | 145.9 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 118.3 | 174.6 | -77.7 | -174.6 | 176.1 | -169.7 | -1.2 | 104.6 | A107 | A107-R109 PolarHBondContact O-N 2.8Š|
| 110 | A | 63.1 | Low | 60.8 | Low | 84 Ų | 84 | 147.6 Ų | 147.6 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 138.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108 | P108 | P108-A110 PolarHBondContact O-N 3.06Š|
| 111 | P | 71.3 | Confident | 59.6 | Low | 113 Ų | 113 | 142.4 Ų | 142.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.6 | 175.5 | 24.4 | -32.5 | 0 | 0 | 0 | 108.8 | K113 | P111-K113 PolarHBondContact O-N 3.31Š|
| 112 | P | 68.9 | Low | 59.4 | Low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133 | 175.6 | 25 | -32.5 | 0 | 0 | 0 | 108.8 | ||
| 113 | K | 64.8 | Low | 59.1 | Low | 196 Ų | 196 | 134.1 Ų | 134.1 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 133.5 | 174.1 | -66.5 | -179.2 | 179.1 | -179.7 | 0 | 108.3 | P111 M115 | P111-K113 PolarHBondContact O-N 3.31Å; K113-M115 PolarHBondContact O-N 3.48Å |
| 114 | P | 67.6 | Low | 59.5 | Low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136.6 | 169.5 | 26 | -31 | 0 | 0 | 0 | 108.9 | ||
| 115 | M | 63.2 | Low | 60.6 | Low | 266 Ų | 266 | 137.6 Ų | 137.6 | 100% | 1.31 | 82% | 0.819 | S | S | * | * | trans | -65.1 | 0 | 167.6 | -70.6 | -165.6 | 176.9 | 0 | 0 | 110.1 | K113 | K113-M115 PolarHBondContact O-N 3.48Š|
Retrieved 115 of 115 residues in 163.5 ms
(Link to these results)